3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide

C17H26N2O2 — CID 3236824

IUPAC3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CC(C)OC(C)C2)c1
InChIInChI=1S/C17H26N2O2/c1-12-5-6-13(2)16(9-12)18-17(20)7-8-19-10-14(3)21-15(4)11-19/h5-6,9,14-15H,7-8,10-11H2,1-4H3,(H,18,20)
InChIKeyYBAXGSAADMRPKZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.74
Rot. Bonds4

About 3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide

3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 3236824) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide
PubChem CID3236824
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CC(C)OC(C)C2)c1
InChIInChI=1S/C17H26N2O2/c1-12-5-6-13(2)16(9-12)18-17(20)7-8-19-10-14(3)21-15(4)11-19/h5-6,9,14-15H,7-8,10-11H2,1-4H3,(H,18,20)
InChIKeyYBAXGSAADMRPKZ-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride
CID 53350774
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-methylphenyl)propanamide
CID 771759
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154390
N-(2,5-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propanamide
CID 124846510
N-(2-amino-4-chlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779484
N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532
N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 739992
N-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 51302513
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)propanamide
CID 771352
methyl 3-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]amino]-4-methylbenzoate
CID 8898920
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
N-(4-acetylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 24588538

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide (CID 3236824) is 3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCN2CC(C)OC(C)C2)c1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is YBAXGSAADMRPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-5-6-13(2)16(9-12)18-17(20)7-8-19-10-14(3)21-15(4)11-19/h5-6,9,14-15H,7-8,10-11H2,1-4H3,(H,18,20).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide?
3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 3236824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).